SCHEMBL6015992

SCHEMBL6015992

C=C(C)C(=O)NC(C)C.C=CC(=O)NC(C)C

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.72
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
TGFBR1 P36897 1/20 0.40
RXFP1 Q9HBX9 1/20 0.37
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7133791 0.89 TSHR (0.67) TSHRALDH1A1GAATGFBR1RXFP1
Acrylic Acid SCHEMBL2732803 0.86 TSHR (0.50) TSHRALDH1A1GAATGFBR1RXFP1
Methacrylic Acid SCHEMBL2527192 0.86 TSHR (0.75) TSHRALDH1A1GAATGFBR1RXFP1
Acetone SCHEMBL27421539 0.85 TSHR (0.90) TSHRALDH1A1GAACYP2C19MAPK1
SCHEMBL14951 0.85
SCHEMBL27799665 0.85 TSHR (1.00) TSHRALDH1A1GAACYP2C19MAPK1
SCHEMBL15072 0.85
Acrylamide SCHEMBL29124922 0.84 TSHR (0.48) TSHRALDH1A1GAATGFBR1RXFP1
SCHEMBL6766743 0.84 TSHR (0.54) TSHRALDH1A1TGFBR1RXFP1CYP2C19
SCHEMBL4463678 0.84 TSHR (0.72) TSHRALDH1A1GAARXFP1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115572559-B Anti-freezing optical cement and preparation method thereof 中国科学院福建物质结构研究所 2023-11-17 CN disclosed
EP-1619211-B1 PROCESS FOR PRODUCTION OF LIVING-RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL CO LTD (JP) 2012-10-17 EP disclosed
US-20060199927-A1 Process for production of living-radical polymers and polymers Outdoor Wireless Networks LLC 2006-09-07 US disclosed
EP-1619211-A1 PROCESS FOR PRODUCTION OF LIVING-RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2006-01-25 EP disclosed